Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA3 | P07451 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CA6 | P23280 | 1/20 | 0.61 |
| ▸ | CA5A | P35218 | 1/20 | 0.61 |
| ▸ | CA7 | P43166 | 1/20 | 0.61 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.61 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | NT5E | P21589 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 4/20 | 0.58 |
| ▸ | MMP2 | P08253 | 1/20 | 0.57 |
| ▸ | MMP9 | P14780 | 1/20 | 0.57 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.57 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30594160 | 0.92 | MAOB (0.67) | MAOBCA12CA9CA1CA3 | |
| SCHEMBL1619109 | 0.92 | MAOB (0.67) | MAOBCA12CA9CA1CA3 | |
| Acetic Acid SCHEMBL28312963 | 0.89 | MAOB (0.58) | MAOBCA12CA9CA1CA3 | |
| Acetic Acid SCHEMBL472753 | 0.88 | MAOB (0.56) | MAOBCA12CA9CA1CA3 | |
| Phosphoric Acid SCHEMBL27693937 | 0.87 | MAOB (0.58) | MAOBCA12CA9CA1CA3 | |
| Phosphoric Acid SCHEMBL27693939 | 0.83 | MAOB (0.57) | MAOBCA12CA9CA1CA3 | |
| SCHEMBL2403666 | 0.82 | RAB9A (0.59) | MAOBCA12CA9CA1CA3 | |
| Acetic Acid SCHEMBL2033161 | 0.82 | MAOB (0.50) | MAOBCA12CA9CA1CA3 | |
| SCHEMBL13857135 | 0.81 | ADAM17 (0.70) | MAOBCA12CA9CA1CA3 | |
| 3-Hydroxycoumarin SCHEMBL6401867 | 0.80 | HPGD (0.83) | MAOBCA12CA9CA1CA3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4427680-A | ANTHISTAMINES | BOEHRINGER MANNHEIM GMBH (DE) | 1984-01-24 | — | — | US | disclosed |
| US-4330549-A | Coumarins connected via an oxyalkyl group with a piperidine ring having anti-allergic action | BOEHRINGER MANNHEIM GMBH (DE) | 1982-05-18 | — | — | US | disclosed |